methyl 2-(2-diethylaminoethyloxy)-3,5-dinitro-benzoate

Systemtic Name: methyl 2-(2-diethylaminoethyloxy)-3,5-dinitro-benzoate Openeye Name: methyl 2-(2-diethylaminoethyloxy)-3,5-dinitro-benzoate CAS Name: 2-(2-diethylaminoethyloxy)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-diethylaminoethyloxy)-3,5-dinitrobenzoate Traditional Name: 2-(2-diethylaminoethyloxy)-3,5-dinitro-benzoic acid methyl ester Formula: C14H19N3O7 MolecularWeight: 341.31656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O7/c1-4-15(5-2)6-7-24-13-11(14(18)23-3)8-10(16(19)20)9-12(13)17(21)22/h8-9H,4-7H2,1-3H3